Project name: 8JEL

Chain sequence(s)	A: EVQLVESGGGLVQPGGSLRLSCAASGFTFSDYYMYWVRQAPGKGLEWVAYITKGGGSTYYPDSVKGRFTISRDNAKNTLYLQMNSLRAEDTAVYYCARQTNYDFTMDYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC; C: EVQLVESGGGLVQPGGSLRLSCAASGFTFSDYYMYWVRQAPGKGLEWVAYITKGGGSTYYPDSVKGRFTISRDNAKNTLYLQMNSLRAEDTAVYYCARQTNYDFTMDYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC; B: EIVMTQSPATLSVSPGERATLSCKASQDVGTSVAWYQQKPGQAPRLLIYWASARHTGIPARFSGSGSGTEFTLTISSLQSEDFAVYYCQQYSSYPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC; E: MTGTIETTGNISAEKGGSIILQCHLSSTTAQVTQVNWEQQDQLLAICNADLGWHISPSFKDRVAPGPGLGLTLQSLTVNDTGEYFCIYHTYPDGTYTGRIFLEVLELE; D: EIVMTQSPATLSVSPGERATLSCKASQDVGTSVAWYQQKPGQAPRLLIYWASARHTGIPARFSGSGSGTEFTLTISSLQSEDFAVYYCQQYSSYPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC; G: EIVMTQSPATLSVSPGERATLSCKASQDVGTSVAWYQQKPGQAPRLLIYWASARHTGIPARFSGSGSGTEFTLTISSLQSEDFAVYYCQQYSSYPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKS; F: EVQLVESGGGLVQPGGSLRLSCAASGFTFSDYYMYWVRQAPGKGLEWVAYITKGGGSTYYPDSVKGRFTISRDNAKNTLYLQMNSLRAEDTAVYYCARQTNYDFTMDYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP; I: EVQLVESGGGLVQPGGSLRLSCAASGFTFSDYYMYWVRQAPGKGLEWVAYITKGGGSTYYPDSVKGRFTISRDNAKNTLYLQMNSLRAEDTAVYYCARQTNYDFTMDYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK; H: MTGTIETTGNISAEKGGSIILQCHLSSTTAQVTQVNWEQQDQLLAICNADLGWHISPSFKDRVAPGPGLGLTLQSLTVNDTGEYFCIYHTYPDGTYTGRIFLEVLEL; K: EIVMTQSPATLSVSPGERATLSCKASQDVGTSVAWYQQKPGQAPRLLIYWASARHTGIPARFSGSGSGTEFTLTISSLQSEDFAVYYCQQYSSYPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG; J: MMTGTIETTGNISAEKGGSIILQCHLSSTTAQVTQVNWEQQDQLLAICNADLGWHISPSFKDRVAPGPGLGLTLQSLTVNDTGEYFCIYHTYPDGTYTGRIFLEVLEL; L: MTGTIETTGNISAEKGGSIILQCHLSSTTAQVTQVNWEQQDQLLAICNADLGWHISPSFKDRVAPGPGLGLTLQSLTVNDTGEYFCIYHTYPDGTYTGRIFLEVLE
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:20:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:21:02)

• Minimal score value: -3.9791
• Maximal score value: 1.8825
• Average score: -0.6417
• Total score value: -1370.7109

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	E	C	-2.4085
2	V	C	-0.8177
3	Q	C	-0.6610
4	L	C	0.0000
5	V	C	1.2498
6	E	C	0.0000
7	S	C	-0.3510
8	G	C	-0.8333
9	G	C	-0.4589
10	G	C	-0.4083
11	L	C	0.0233
12	V	C	-0.5624
13	Q	C	-1.5454
14	P	C	-1.6749
15	G	C	-1.4126
16	G	C	-1.0748
17	S	C	-1.2807
18	L	C	-1.1790
19	R	C	-2.2370
20	L	C	0.0000
21	S	C	-0.4759
22	C	C	0.0000
23	A	C	-0.0456
24	A	C	0.0000
25	S	C	-0.6677
26	G	C	-1.4331
27	F	C	-1.0037
28	T	C	-1.0106
29	F	C	0.0000
30	S	C	-1.4831
31	D	C	-2.2195
32	Y	C	0.0000
33	Y	C	0.0000
34	M	C	0.0000
35	Y	C	0.0000
36	W	C	0.0000
37	V	C	0.0000
38	R	C	0.0000
39	Q	C	0.0000
40	A	C	-1.1669
41	P	C	-0.9387
42	G	C	-1.4487
43	K	C	-2.2254
44	G	C	-1.3194
45	L	C	0.0000
46	E	C	-0.9080
47	W	C	0.0000
48	V	C	0.0000
49	A	C	0.0000
50	Y	C	0.0000
51	I	C	0.0000
52	T	C	0.0000
53	K	C	-1.5302
54	G	C	-1.5872
55	G	C	-1.0272
56	G	C	-0.8886
57	S	C	-0.4145
58	T	C	0.1414
59	Y	C	0.2783
60	Y	C	-0.5794
61	P	C	-1.4972
62	D	C	-2.4627
63	S	C	-1.7744
64	V	C	0.0000
65	K	C	-2.5282
66	G	C	-1.7603
67	R	C	-1.4754
68	F	C	0.0000
69	T	C	-0.8771
70	I	C	0.0000
71	S	C	-0.6447
72	R	C	-1.1440
73	D	C	-1.6400
74	N	C	-1.8484
75	A	C	-1.3599
76	K	C	-2.2686
77	N	C	-1.7280
78	T	C	0.0000
79	L	C	0.0000
80	Y	C	0.0000
81	L	C	0.0000
82	Q	C	-1.5198
83	M	C	0.0000
84	N	C	-1.4169
85	S	C	-1.2375
86	L	C	0.0000
87	R	C	-2.1146
88	A	C	-1.6677
89	E	C	-2.1533
90	D	C	0.0000
91	T	C	-0.6336
92	A	C	0.0000
93	V	C	0.1695
94	Y	C	0.0000
95	Y	C	0.0000
96	C	C	0.0000
97	A	C	0.0000
98	R	C	-0.2518
99	Q	C	0.0000
100	T	C	0.0000
101	N	C	-1.4551
102	Y	C	-0.4143
103	D	C	0.0000
104	F	C	0.0000
105	T	C	0.0000
106	M	C	0.0000
107	D	C	0.0000
108	Y	C	0.0845
109	W	C	0.0000
110	G	C	0.0000
111	Q	C	-1.1274
112	G	C	-0.4149
113	T	C	0.0000
114	L	C	0.2163
115	V	C	0.0000
116	T	C	0.0000
117	V	C	0.0000
118	S	C	-0.7213
119	S	C	-0.6099
120	A	C	-0.4676
121	S	C	-0.6535
122	T	C	-0.9079
123	K	C	-1.5462
124	G	C	-1.4669
125	P	C	-0.6326
126	S	C	-0.4735
127	V	C	0.0000
128	F	C	-0.6360
129	P	C	-1.1092
130	L	C	0.0000
131	A	C	-1.1096
132	P	C	0.0000
133	S	C	-0.4898
140	G	C	-0.6236
141	T	C	-0.4468
142	A	C	-0.2214
143	A	C	0.0000
144	L	C	0.0000
145	G	C	0.0000
146	C	C	0.0000
147	L	C	0.0000
148	V	C	0.0000
149	K	C	0.0000
150	D	C	-0.4035
151	Y	C	0.0000
152	F	C	0.0000
153	P	C	0.0000
154	E	C	-0.3649
155	P	C	-0.6315
156	V	C	-0.5868
157	T	C	-0.5012
158	V	C	-0.1895
159	S	C	-0.4169
160	W	C	0.0000
161	N	C	-0.7956
162	S	C	-0.7410
163	G	C	-0.6076
164	A	C	-0.4705
165	L	C	-0.2006
166	T	C	-0.1949
167	S	C	-0.1703
168	G	C	-0.1834
169	V	C	0.1674
170	H	C	-0.1310
171	T	C	0.0363
172	F	C	0.0000
173	P	C	-0.1605
174	A	C	0.3352
175	V	C	0.6949
176	L	C	1.5263
177	Q	C	0.5020
178	S	C	0.0028
179	S	C	-0.1605
180	G	C	0.0909
181	L	C	0.2092
182	Y	C	0.5596
183	S	C	0.0000
184	L	C	0.0000
185	S	C	0.0000
186	S	C	0.0000
187	V	C	0.0000
188	V	C	0.0000
189	T	C	-0.1416
190	V	C	0.0000
191	P	C	-0.4993
192	S	C	-0.4800
193	S	C	-0.4825
194	S	C	0.0000
195	L	C	-0.5309
196	G	C	-0.7520
197	T	C	-0.5962
198	Q	C	-0.5512
199	T	C	-0.6681
200	Y	C	0.0000
201	I	C	-1.0537
202	C	C	0.0000
203	N	C	-1.4956
204	V	C	0.0000
205	N	C	-1.7599
206	H	C	0.0000
207	K	C	-2.7279
208	P	C	-1.6643
209	S	C	-1.9130
210	N	C	-2.6162
211	T	C	-2.0862
212	K	C	-2.6508
213	V	C	-1.6737
214	D	C	-2.5475
215	K	C	-1.9403
216	K	C	-2.0325
217	V	C	0.0000
218	E	C	-2.6888
219	P	C	-1.7491
220	K	C	-2.0964
221	S	C	-0.8192
222	C	C	-0.1132
1	E	D	-1.4690
2	I	D	-0.5198
3	V	D	0.5444
4	M	D	0.0000
5	T	D	-0.5166
6	Q	D	0.0000
7	S	D	-0.5955
8	P	D	-0.4002
9	A	D	-0.3141
10	T	D	-0.2794
11	L	D	-0.2830
12	S	D	-0.7395
13	V	D	-1.4355
14	S	D	-1.8783
15	P	D	-1.9096
16	G	D	-2.0123
17	E	D	-3.1455
18	R	D	-2.9555
19	A	D	0.0000
20	T	D	-0.6603
21	L	D	0.0000
22	S	D	-0.8583
23	C	D	0.0000
24	K	D	-2.3342
25	A	D	-1.6257
26	S	D	-1.3462
27	Q	D	-2.4908
28	D	D	-2.9160
29	V	D	0.0000
30	G	D	-1.2451
31	T	D	-0.4674
32	S	D	0.0000
33	V	D	0.0000
34	A	D	0.0000
35	W	D	0.0000
36	Y	D	0.0000
37	Q	D	0.0000
38	Q	D	-0.8092
39	K	D	-1.1699
40	P	D	-1.1225
41	G	D	-1.2301
42	Q	D	-1.6969
43	A	D	-1.2027
44	P	D	0.0000
45	R	D	-1.0366
46	L	D	0.0000
47	L	D	0.0000
48	I	D	0.0000
49	Y	D	-0.2018
50	W	D	0.0000
51	A	D	0.0000
52	S	D	-0.5883
53	A	D	-0.8356
54	R	D	-1.3982
55	H	D	-0.9894
56	T	D	-0.6876
57	G	D	-0.7315
58	I	D	0.0000
59	P	D	-0.5283
60	A	D	-0.4927
61	R	D	-0.7038
62	F	D	0.0000
63	S	D	-0.6369
64	G	D	-0.5476
65	S	D	-0.7368
66	G	D	-1.1892
67	S	D	-1.4135
68	G	D	-1.9437
69	T	D	-2.4895
70	E	D	-2.9408
71	F	D	0.0000
72	T	D	-0.8578
73	L	D	0.0000
74	T	D	-0.6671
75	I	D	0.0000
76	S	D	-1.7100
77	S	D	-1.7928
78	L	D	0.0000
79	Q	D	-1.8420
80	S	D	-1.7210
81	E	D	-1.2969
82	D	D	0.0000
83	F	D	0.0000
84	A	D	0.0000
85	V	D	-0.2288
86	Y	D	0.0000
87	Y	D	0.0000
88	C	D	0.0000
89	Q	D	0.0000
90	Q	D	0.0000
91	Y	D	0.0000
92	S	D	0.0000
93	S	D	-0.7458
94	Y	D	-0.1323
95	P	D	-0.4750
96	L	D	0.0000
97	T	D	-0.0299
98	F	D	0.1636
99	G	D	0.0000
100	G	D	-0.7174
101	G	D	0.0000
102	T	D	0.0000
103	K	D	-0.6324
104	V	D	0.0000
105	E	D	-1.0102
106	I	D	0.0000
107	K	D	-1.8508
108	R	D	-1.1486
109	T	D	-0.1031
110	V	D	0.3304
111	A	D	-0.0415
112	A	D	-0.1425
113	P	D	0.0000
114	S	D	-0.1653
115	V	D	0.0000
116	F	D	0.0876
117	I	D	0.0218
118	F	D	0.0000
119	P	D	-0.3995
120	P	D	-0.6684
121	S	D	-1.5921
122	D	D	-2.5835
123	E	D	-2.8704
124	Q	D	0.0000
125	L	D	-2.0877
126	K	D	-2.6985
127	S	D	-1.6436
128	G	D	-0.9776
129	T	D	-0.7804
130	A	D	0.0000
131	S	D	0.0000
132	V	D	0.0000
133	V	D	0.0000
134	C	D	0.0000
135	L	D	0.0000
136	L	D	0.0000
137	N	D	-0.3559
138	N	D	-0.9526
139	F	D	0.0000
140	Y	D	0.0000
141	P	D	-1.7980
142	R	D	-3.0350
143	E	D	-3.2883
144	A	D	-2.3862
145	K	D	-2.4609
146	V	D	-1.1630
147	Q	D	-0.7979
148	W	D	0.0000
149	K	D	-0.9579
150	V	D	0.0000
151	D	D	-1.8255
152	N	D	-1.5233
153	A	D	-0.6350
154	L	D	0.0320
155	Q	D	-0.5950
156	S	D	-0.7802
157	G	D	-1.1285
158	N	D	-1.3313
159	S	D	-1.2655
160	Q	D	-1.2310
161	E	D	-1.7651
162	S	D	-0.7904
163	V	D	-0.4992
164	T	D	-0.7975
165	E	D	-1.6055
166	Q	D	0.0000
167	D	D	-1.8254
168	S	D	-1.8519
169	K	D	-2.4380
170	D	D	-1.9260
171	S	D	0.0000
172	T	D	0.0000
173	Y	D	0.0000
174	S	D	0.0000
175	L	D	0.0000
176	S	D	0.0000
177	S	D	0.0000
178	T	D	-0.6805
179	L	D	0.0000
180	T	D	-0.3725
181	L	D	-0.7084
182	S	D	-1.1583
183	K	D	-1.9316
184	A	D	-1.8422
185	D	D	-2.6130
186	Y	D	0.0000
187	E	D	-3.3018
188	K	D	-3.4926
189	H	D	-2.8901
190	K	D	-2.6940
191	V	D	-1.4289
192	Y	D	0.0000
193	A	D	-0.8397
194	C	D	0.0000
195	E	D	-1.0595
196	V	D	0.0000
197	T	D	-1.1995
198	H	D	0.0000
199	Q	D	-1.7543
200	G	D	-0.4307
201	L	D	-0.2550
202	S	D	-0.4592
203	S	D	-0.4349
204	P	D	-0.5538
205	V	D	-0.0920
206	T	D	-0.5441
207	K	D	-0.7699
208	S	D	-0.6783
209	F	D	-0.8822
210	N	D	-1.8853
211	R	D	-2.3044
212	G	D	-1.8283
213	E	D	-1.9690
214	C	D	-0.6569
22	M	J	1.0200
23	M	J	0.5607
24	T	J	0.1789
25	G	J	-0.0683
26	T	J	-0.4495
27	I	J	-0.9808
28	E	J	-1.9547
29	T	J	-1.5652
30	T	J	-0.8524
31	G	J	-1.1690
32	N	J	-1.4949
33	I	J	-0.3459
34	S	J	-0.8720
35	A	J	-1.0870
36	E	J	-2.0608
37	K	J	-2.2677
38	G	J	-1.5643
39	G	J	-1.2253
40	S	J	-0.4648
41	I	J	0.9016
42	I	J	1.5808
43	L	J	0.0000
44	Q	J	-0.4631
45	C	J	0.0000
46	H	J	-1.3362
47	L	J	-0.5195
48	S	J	-0.5633
49	S	J	-0.2144
50	T	J	-0.3542
51	T	J	-0.2946
52	A	J	-0.3782
53	Q	J	-0.7796
54	V	J	0.1284
55	T	J	-0.2926
56	Q	J	0.0000
57	V	J	0.0000
58	N	J	-0.1355
59	W	J	0.0000
60	E	J	-1.0083
61	Q	J	-1.3673
62	Q	J	-1.7896
63	D	J	-1.6242
64	Q	J	-1.0216
65	L	J	0.0000
66	L	J	0.0000
67	A	J	0.0000
68	I	J	0.0000
69	C	J	0.0339
70	N	J	-0.3560
71	A	J	-0.7621
72	D	J	-1.5752
73	L	J	-0.4369
74	G	J	-0.2815
75	W	J	0.1290
76	H	J	0.0000
77	I	J	-0.2265
78	S	J	0.0000
79	P	J	-0.4491
80	S	J	-0.4273
81	F	J	-0.8953
82	K	J	-1.8108
83	D	J	-2.5483
84	R	J	-1.8551
85	V	J	0.0000
86	A	J	-0.6001
87	P	J	-0.0595
88	G	J	-0.0579
89	P	J	-0.1754
90	G	J	-0.5321
91	L	J	-0.0576
92	G	J	0.0000
93	L	J	0.0000
94	T	J	0.3754
95	L	J	0.0000
96	Q	J	-1.0247
97	S	J	-1.3991
98	L	J	0.0000
99	T	J	-1.2151
100	V	J	-0.7527
101	N	J	-1.2249
102	D	J	-1.1084
103	T	J	-0.6618
104	G	J	-0.8215
105	E	J	-1.4900
106	Y	J	0.0000
107	F	J	-0.7931
108	C	J	0.0000
109	I	J	-0.0632
110	Y	J	0.0000
111	H	J	-0.2521
112	T	J	0.0000
113	Y	J	0.0972
114	P	J	-0.2042
115	D	J	-0.0460
116	G	J	0.0000
117	T	J	-0.0780
118	Y	J	0.0000
119	T	J	-0.4057
120	G	J	0.0000
121	R	J	-2.1032
122	I	J	0.0000
123	F	J	-0.5141
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